1-Hydroxytetratriacontan-4-one
PubChem CID: 85655677
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| Compound Synonyms | 1-hydroxytetratriacontan-4-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Fatty alcohols, Oxygenated hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCO |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxytetratriacontan-4-one |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 15.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C34H68O2 |
| Inchi Key | OFUTUOXRVNXZST-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 32.0 |
| Synonyms | 1-hydroxytetra triacontan-4-one |
| Esol Class | Insoluble |
| Functional Groups | CC(C)=O, CO |
| Compound Name | 1-Hydroxytetratriacontan-4-one |
| Exact Mass | 508.522 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.522 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 508.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C34H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31-34(36)32-30-33-35/h35H,2-33H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Leucas Aspera (Plant) Rel Props:Reference:ISBN:9788172362461